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Home > Pyridines > 1306738-84-0
1306738-84-0 | 3-benzyl-5-(1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,2,4-oxadiazole
CAS No: 1306738-84-0 Catalog No: AG00JK4M MDL No:MFCD20526211
Product Description
Catalog Number:
AG00JK4M
Chemical Name:
3-benzyl-5-(1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-1,2,4-oxadiazole
CAS Number:
1306738-84-0
Molecular Formula:
C16H17N5O
Molecular Weight:
295.3391
MDL Number:
MFCD20526211
IUPAC Name:
3-benzyl-5-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,2,4-oxadiazole;hydrochloride
InChI:
InChI=1S/C16H17N5O.ClH/c1-21-13-7-8-17-10-12(13)15(19-21)16-18-14(20-22-16)9-11-5-3-2-4-6-11;/h2-6,17H,7-10H2,1H3;1H
InChI Key:
WBQBNZOGFYYXPC-UHFFFAOYSA-N
SMILES:
Cn1nc(c2c1CCNC2)c1onc(n1)Cc1ccccc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.12g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.804g/mol
Monoisotopic Mass:
331.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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